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CHEBI:62094 - α-NeupAc-(2→8)-α-NeupAc-(2→3)-β-D-Galp

ChEBI IDCHEBI:62094
ChEBI Nameα-NeupAc-(2→8)-α-NeupAc-(2→3)-β-D-Galp
Stars
ASCII Namealpha-NeupAc-(2->8)-alpha-NeupAc-(2->3)-beta-D-Galp
DefinitionAn amino trisaccharide comprising two α-N-acetylneuraminyl residues joined by a (2→8)-linkage and attached in turn by a (2→3)-linkage to β-D-galactose.
Last Modified16 May 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H46N2O22
Net Charge0
Average Mass762.668
Monoisotopic Mass762.25422
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@]2([H])O[C@@](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C28H46N2O22/c1-8(34)29-15-10(36)3-27(25(44)45,50-21(15)17(39)12(38)5-31)49-14(7-33)19(41)22-16(30-9(2)35)11(37)4-28(51-22,26(46)47)52-23-18(40)13(6-32)48-24(43)20(23)42/h10-24,31-33,36-43H,3-7H2,1-2H3,(H,29,34)(H,30,35)(H,44,45)(H,46,47)/t10-,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24+,27+,28-/m0/s1
InChIKeyFMIALDTXQFBRKH-YVPNKAGPSA-N
ChEBI Ontology
Outgoing Relation(s)
α-NeupAc-(2→8)-α-NeupAc-(2→3)-β-D-Galp (CHEBI:62094) is a amino trisaccharide (CHEBI:59266)
IUPAC Name 
3-O-{(6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl}-β-D-galactopyranose
Synonyms  Source
3-O-{(6R)-5-(acetylamino)-6-[(1S,2R)-2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl}-β-D-galactopyranoseIUPAC
α-N-acetylneuraminosyl-(2→8)-α-N-acetylneuraminosyl-(2→3)-β-D-galactoseChEBI
DSGChEBI
NeuNAc(α2-8)NeuNAc(α2-3)Galβ1ChEBI
NeuNAc(α2→8)NeuNAc(α2→3)Galβ1ChEBI
α-NeuAc-(2→8)-α-NeuAc-(2→3)-β-D-GalChEBI
Citations